(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

C16H20ClN3O — CID 138057346

IUPAC(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2c(Cl)cccc12)[C@@H]1CCCNC1
InChIInChI=1S/C16H20ClN3O/c17-14-5-1-4-13-11(10-20-15(13)14)6-8-19-16(21)12-3-2-7-18-9-12/h1,4-5,10,12,18,20H,2-3,6-9H2,(H,19,21)/t12-/m1/s1
InChIKeyMQKDAPYHWOKIQG-GFCCVEGCSA-N
MW305.81 g/mol
LogP2.48
Rot. Bonds4

About (3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 138057346) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID138057346
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2c(Cl)cccc12)[C@@H]1CCCNC1
InChIInChI=1S/C16H20ClN3O/c17-14-5-1-4-13-11(10-20-15(13)14)6-8-19-16(21)12-3-2-7-18-9-12/h1,4-5,10,12,18,20H,2-3,6-9H2,(H,19,21)/t12-/m1/s1
InChIKeyMQKDAPYHWOKIQG-GFCCVEGCSA-N
XLogP2.48
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-(2-quinolin-8-ylethyl)piperidine-3-carboxamide
CID 78982428
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
CID 119900670
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide (CID 138057346) is (3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1c[nH]c2c(Cl)cccc12)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is MQKDAPYHWOKIQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-14-5-1-4-13-11(10-20-15(13)14)6-8-19-16(21)12-3-2-7-18-9-12/h1,4-5,10,12,18,20H,2-3,6-9H2,(H,19,21)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 138057346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).