N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide

C16H26N4O — CID 18396668

IUPACN-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide
SMILESCC1CCCCN1CCCN(C=O)[C@@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C16H26N4O/c1-13-5-2-3-6-19(13)7-4-8-20(12-21)16-9-14(16)15-10-17-11-18-15/h10-14,16H,2-9H2,1H3,(H,17,18)/t13?,14-,16+/m0/s1
InChIKeyQDJRBTJIJWMVCW-JGKCFBKVSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds7

About N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide

N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide (PubChem CID 18396668) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide
PubChem CID18396668
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide
SMILESCC1CCCCN1CCCN(C=O)[C@@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C16H26N4O/c1-13-5-2-3-6-19(13)7-4-8-20(12-21)16-9-14(16)15-10-17-11-18-15/h10-14,16H,2-9H2,1H3,(H,17,18)/t13?,14-,16+/m0/s1
InChIKeyQDJRBTJIJWMVCW-JGKCFBKVSA-N
XLogP1.99
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]formamide
CID 174509096
3-(2-methylpiperidin-1-yl)propyl formate
CID 134501776
5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 60810408
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 124753653
N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914239
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
2-methyl-1-pentylazepane
CID 134994557
3-N-methyl-5-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3,5-diamine
CID 104532661
N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 46984007
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43217592

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide?
The IUPAC name of N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide (CID 18396668) is N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide.
What is the SMILES notation for N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide?
The canonical SMILES for N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide is CC1CCCCN1CCCN(C=O)[C@@H]1C[C@H]1c1cnc[nH]1.
What is the InChIKey of N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide?
The InChIKey is QDJRBTJIJWMVCW-JGKCFBKVSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-5-2-3-6-19(13)7-4-8-20(12-21)16-9-14(16)15-10-17-11-18-15/h10-14,16H,2-9H2,1H3,(H,17,18)/t13?,14-,16+/m0/s1.
What are the key properties of N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide?
N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide has a molecular weight of 290.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide is sourced from PubChem (CID 18396668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).