7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide

C20H34N4O — CID 119891435

IUPAC7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
SMILESCCN(CC1CCN(c2ccccn2)CC1)C(=O)CCCCCCN
InChIInChI=1S/C20H34N4O/c1-2-23(20(25)10-5-3-4-7-13-21)17-18-11-15-24(16-12-18)19-9-6-8-14-22-19/h6,8-9,14,18H,2-5,7,10-13,15-17,21H2,1H3
InChIKeyPGXJFWWCSHICRB-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.06
Rot. Bonds10

About 7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide

7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide (PubChem CID 119891435) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
PubChem CID119891435
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
SMILESCCN(CC1CCN(c2ccccn2)CC1)C(=O)CCCCCCN
InChIInChI=1S/C20H34N4O/c1-2-23(20(25)10-5-3-4-7-13-21)17-18-11-15-24(16-12-18)19-9-6-8-14-22-19/h6,8-9,14,18H,2-5,7,10-13,15-17,21H2,1H3
InChIKeyPGXJFWWCSHICRB-UHFFFAOYSA-N
XLogP3.06
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119891442
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
2-amino-N-ethyl-2-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 120597131
(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide
CID 119891501
2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 119891449
7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride
CID 119784610
N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71993295
3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120982856
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 29258017

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide?
The IUPAC name of 7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide (CID 119891435) is 7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide is CCN(CC1CCN(c2ccccn2)CC1)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide?
The InChIKey is PGXJFWWCSHICRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-2-23(20(25)10-5-3-4-7-13-21)17-18-11-15-24(16-12-18)19-9-6-8-14-22-19/h6,8-9,14,18H,2-5,7,10-13,15-17,21H2,1H3.
What are the key properties of 7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide?
7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide has a molecular weight of 346.52 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide is sourced from PubChem (CID 119891435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).