N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide

C25H31N5O — CID 155558349

IUPACN-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide
SMILESCn1ccc2ccnc(N(C(=O)N3CCC(c4ccccc4)CC3)[C@@H]3CCCNC3)c21
InChIInChI=1S/C25H31N5O/c1-28-15-10-21-9-14-27-24(23(21)28)30(22-8-5-13-26-18-22)25(31)29-16-11-20(12-17-29)19-6-3-2-4-7-19/h2-4,6-7,9-10,14-15,20,22,26H,5,8,11-13,16-18H2,1H3/t22-/m1/s1
InChIKeyRPHSNAVXEYACPF-JOCHJYFZSA-N
MW417.56 g/mol
LogP4.13
Rot. Bonds3

About N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide

N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide (PubChem CID 155558349) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide
PubChem CID155558349
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide
SMILESCn1ccc2ccnc(N(C(=O)N3CCC(c4ccccc4)CC3)[C@@H]3CCCNC3)c21
InChIInChI=1S/C25H31N5O/c1-28-15-10-21-9-14-27-24(23(21)28)30(22-8-5-13-26-18-22)25(31)29-16-11-20(12-17-29)19-6-3-2-4-7-19/h2-4,6-7,9-10,14-15,20,22,26H,5,8,11-13,16-18H2,1H3/t22-/m1/s1
InChIKeyRPHSNAVXEYACPF-JOCHJYFZSA-N
XLogP4.13
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide (CID 155558349) is N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide is Cn1ccc2ccnc(N(C(=O)N3CCC(c4ccccc4)CC3)[C@@H]3CCCNC3)c21.
What is the InChIKey of N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide?
The InChIKey is RPHSNAVXEYACPF-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N5O/c1-28-15-10-21-9-14-27-24(23(21)28)30(22-8-5-13-26-18-22)25(31)29-16-11-20(12-17-29)19-6-3-2-4-7-19/h2-4,6-7,9-10,14-15,20,22,26H,5,8,11-13,16-18H2,1H3/t22-/m1/s1.
What are the key properties of N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide?
N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 155558349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).