1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide

C20H30N4O3 — CID 119872151

IUPAC1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCOC1(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)CCNCC1
InChIInChI=1S/C20H30N4O3/c1-27-20(8-10-22-11-9-20)19(26)23-17-6-4-15(5-7-17)13-24-12-2-3-16(14-24)18(21)25/h4-7,16,22H,2-3,8-14H2,1H3,(H2,21,25)(H,23,26)
InChIKeyDLFKJZVCKFGMSB-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.09
Rot. Bonds6

About 1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119872151) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID119872151
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCOC1(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)CCNCC1
InChIInChI=1S/C20H30N4O3/c1-27-20(8-10-22-11-9-20)19(26)23-17-6-4-15(5-7-17)13-24-12-2-3-16(14-24)18(21)25/h4-7,16,22H,2-3,8-14H2,1H3,(H2,21,25)(H,23,26)
InChIKeyDLFKJZVCKFGMSB-UHFFFAOYSA-N
XLogP1.09
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 120645895
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507529
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
(3R)-1-[[4-(dimethylamino)phenyl]methyl]piperidine-3-carboxamide
CID 26458213
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119792412
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide (CID 119872151) is 1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide is COC1(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)CCNCC1.
What is the InChIKey of 1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is DLFKJZVCKFGMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-27-20(8-10-22-11-9-20)19(26)23-17-6-4-15(5-7-17)13-24-12-2-3-16(14-24)18(21)25/h4-7,16,22H,2-3,8-14H2,1H3,(H2,21,25)(H,23,26).
What are the key properties of 1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119872151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).