N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide

C25H42N4O2 — CID 92871462

IUPACN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C25H42N4O2/c1-5-22-9-6-7-13-28(22)14-8-12-26-23(30)17-21-10-15-29(16-11-21)25(31)24-19(3)18(2)20(4)27-24/h21-22,27H,5-17H2,1-4H3,(H,26,30)/t22-/m1/s1
InChIKeyRCGHDEMPSRDLJK-JOCHJYFZSA-N
MW430.64 g/mol
LogP3.95
Rot. Bonds8

About N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide

N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 92871462) has the molecular formula C25H42N4O2 and a molecular weight of 430.64 g/mol. Its IUPAC name is N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID92871462
Molecular FormulaC25H42N4O2
Molecular Weight430.64 g/mol
Exact Mass430.33
IUPAC NameN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C25H42N4O2/c1-5-22-9-6-7-13-28(22)14-8-12-26-23(30)17-21-10-15-29(16-11-21)25(31)24-19(3)18(2)20(4)27-24/h21-22,27H,5-17H2,1-4H3,(H,26,30)/t22-/m1/s1
InChIKeyRCGHDEMPSRDLJK-JOCHJYFZSA-N
XLogP3.95
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2,4-dimethyl-5-[4-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 50787453
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 46330481
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92866855
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46295060
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
ethyl 2,4-dimethyl-5-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 50787533
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 5309122
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
CID 100710774
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 92871462) is N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is CC[C@@H]1CCCCN1CCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1.
What is the InChIKey of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is RCGHDEMPSRDLJK-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H42N4O2/c1-5-22-9-6-7-13-28(22)14-8-12-26-23(30)17-21-10-15-29(16-11-21)25(31)24-19(3)18(2)20(4)27-24/h21-22,27H,5-17H2,1-4H3,(H,26,30)/t22-/m1/s1.
What are the key properties of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 430.64 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 92871462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).