1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide

C17H23N3O — CID 119320799

IUPAC1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCCc2c[nH]c3ccccc23)CCCC1
InChIInChI=1S/C17H23N3O/c18-17(9-3-4-10-17)16(21)19-11-5-6-13-12-20-15-8-2-1-7-14(13)15/h1-2,7-8,12,20H,3-6,9-11,18H2,(H,19,21)
InChIKeyDDNOCKXKPSMEEI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.49
Rot. Bonds5

About 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide

1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide (PubChem CID 119320799) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide
PubChem CID119320799
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCCc2c[nH]c3ccccc23)CCCC1
InChIInChI=1S/C17H23N3O/c18-17(9-3-4-10-17)16(21)19-11-5-6-13-12-20-15-8-2-1-7-14(13)15/h1-2,7-8,12,20H,3-6,9-11,18H2,(H,19,21)
InChIKeyDDNOCKXKPSMEEI-UHFFFAOYSA-N
XLogP2.49
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613
N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119778849
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
1-[(3-hydroxythiolan-3-yl)methyl]-3-[3-(1H-indol-3-yl)propyl]urea
CID 111618840
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 71885829
N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
CID 119320797

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide (CID 119320799) is 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide is NC1(C(=O)NCCCc2c[nH]c3ccccc23)CCCC1.
What is the InChIKey of 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide?
The InChIKey is DDNOCKXKPSMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-17(9-3-4-10-17)16(21)19-11-5-6-13-12-20-15-8-2-1-7-14(13)15/h1-2,7-8,12,20H,3-6,9-11,18H2,(H,19,21).
What are the key properties of 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119320799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).