N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide

C21H23N5O2 — CID 170858740

IUPACN-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(CNC(=O)c3n[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C21H23N5O2/c22-20(27)15-4-3-11-26(13-15)16-9-7-14(8-10-16)12-23-21(28)19-17-5-1-2-6-18(17)24-25-19/h1-2,5-10,15H,3-4,11-13H2,(H2,22,27)(H,23,28)(H,24,25)
InChIKeyPNLZFTYBPOLKBZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.19
Rot. Bonds5

About N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide

N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide (PubChem CID 170858740) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
PubChem CID170858740
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(CNC(=O)c3n[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C21H23N5O2/c22-20(27)15-4-3-11-26(13-15)16-9-7-14(8-10-16)12-23-21(28)19-17-5-1-2-6-18(17)24-25-19/h1-2,5-10,15H,3-4,11-13H2,(H2,22,27)(H,23,28)(H,24,25)
InChIKeyPNLZFTYBPOLKBZ-UHFFFAOYSA-N
XLogP2.19
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 51129949
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
CID 47062453
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 17471128
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide (CID 170858740) is N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide is NC(=O)C1CCCN(c2ccc(CNC(=O)c3n[nH]c4ccccc34)cc2)C1.
What is the InChIKey of N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is PNLZFTYBPOLKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c22-20(27)15-4-3-11-26(13-15)16-9-7-14(8-10-16)12-23-21(28)19-17-5-1-2-6-18(17)24-25-19/h1-2,5-10,15H,3-4,11-13H2,(H2,22,27)(H,23,28)(H,24,25).
What are the key properties of N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide?
N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).