N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide

C21H34N4O3 — CID 53006151

IUPACN-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESCc1[nH]c(C(=O)N2CCCC(C(=O)NCCCN3CCOCC3)C2)c(C)c1C
InChIInChI=1S/C21H34N4O3/c1-15-16(2)19(23-17(15)3)21(27)25-9-4-6-18(14-25)20(26)22-7-5-8-24-10-12-28-13-11-24/h18,23H,4-14H2,1-3H3,(H,22,26)
InChIKeyKQAKJJYHGPFPSK-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.63
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide

N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide (PubChem CID 53006151) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
PubChem CID53006151
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESCc1[nH]c(C(=O)N2CCCC(C(=O)NCCCN3CCOCC3)C2)c(C)c1C
InChIInChI=1S/C21H34N4O3/c1-15-16(2)19(23-17(15)3)21(27)25-9-4-6-18(14-25)20(26)22-7-5-8-24-10-12-28-13-11-24/h18,23H,4-14H2,1-3H3,(H,22,26)
InChIKeyKQAKJJYHGPFPSK-UHFFFAOYSA-N
XLogP1.63
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,4-dimethyl-5-[(3R)-3-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 97043480
1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
propan-2-yl 5-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 53006178
methyl 5-[(3S)-3-(butylcarbamoyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 94368543
methyl 5-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 53006168
(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92728921
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
(3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 95990214
ethyl 3,5-dimethyl-4-[3-oxo-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)piperidin-1-yl]propyl]-1H-pyrrole-2-carboxylate
CID 50805559
N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804521
1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119391295
methyl 5-[(3R)-3-(2-methoxyethylcarbamoyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 93065617

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide (CID 53006151) is N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide is Cc1[nH]c(C(=O)N2CCCC(C(=O)NCCCN3CCOCC3)C2)c(C)c1C.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is KQAKJJYHGPFPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-15-16(2)19(23-17(15)3)21(27)25-9-4-6-18(14-25)20(26)22-7-5-8-24-10-12-28-13-11-24/h18,23H,4-14H2,1-3H3,(H,22,26).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 53006151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).