1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide

C31H32N4O3 — CID 58272881

IUPAC1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Oc2ccc3c(ccn3C(=O)Cc3ccccc3)c2)ccn1)C1CCN(CC2CC2)CC1
InChIInChI=1S/C31H32N4O3/c36-30(18-22-4-2-1-3-5-22)35-17-13-25-19-26(8-9-28(25)35)38-27-10-14-32-29(20-27)33-31(37)24-11-15-34(16-12-24)21-23-6-7-23/h1-5,8-10,13-14,17,19-20,23-24H,6-7,11-12,15-16,18,21H2,(H,32,33,37)
InChIKeyDMQVSDSYMAYAKP-UHFFFAOYSA-N
MW508.62 g/mol
LogP5.77
Rot. Bonds8

About 1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide

1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 58272881) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide
PubChem CID58272881
Molecular FormulaC31H32N4O3
Molecular Weight508.62 g/mol
Exact Mass508.25
IUPAC Name1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Oc2ccc3c(ccn3C(=O)Cc3ccccc3)c2)ccn1)C1CCN(CC2CC2)CC1
InChIInChI=1S/C31H32N4O3/c36-30(18-22-4-2-1-3-5-22)35-17-13-25-19-26(8-9-28(25)35)38-27-10-14-32-29(20-27)33-31(37)24-11-15-34(16-12-24)21-23-6-7-23/h1-5,8-10,13-14,17,19-20,23-24H,6-7,11-12,15-16,18,21H2,(H,32,33,37)
InChIKeyDMQVSDSYMAYAKP-UHFFFAOYSA-N
XLogP5.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide (CID 58272881) is 1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide is O=C(Nc1cc(Oc2ccc3c(ccn3C(=O)Cc3ccccc3)c2)ccn1)C1CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is DMQVSDSYMAYAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3/c36-30(18-22-4-2-1-3-5-22)35-17-13-25-19-26(8-9-28(25)35)38-27-10-14-32-29(20-27)33-31(37)24-11-15-34(16-12-24)21-23-6-7-23/h1-5,8-10,13-14,17,19-20,23-24H,6-7,11-12,15-16,18,21H2,(H,32,33,37).
What are the key properties of 1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide?
1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 58272881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).