(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide

C18H29N5O2 — CID 95350170

IUPAC(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
SMILESCN(C)c1ccccc1NC(=O)NCCCN1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C18H29N5O2/c1-22(2)16-9-4-3-8-15(16)21-18(25)20-10-6-12-23-11-5-7-14(13-23)17(19)24/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H2,19,24)(H2,20,21,25)/t14-/m1/s1
InChIKeyYPTBDZKJIYZWAV-CQSZACIVSA-N
MW347.46 g/mol
LogP1.46
Rot. Bonds7

About (3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide

(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide (PubChem CID 95350170) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
PubChem CID95350170
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
SMILESCN(C)c1ccccc1NC(=O)NCCCN1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C18H29N5O2/c1-22(2)16-9-4-3-8-15(16)21-18(25)20-10-6-12-23-11-5-7-14(13-23)17(19)24/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H2,19,24)(H2,20,21,25)/t14-/m1/s1
InChIKeyYPTBDZKJIYZWAV-CQSZACIVSA-N
XLogP1.46
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide
CID 52516463
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide
CID 110951080
1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 110951079
(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 97445320
1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 118767012
1-[3-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111359170
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
CID 100840842
(3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide
CID 100856545
1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide
CID 51134727
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide (CID 95350170) is (3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide is CN(C)c1ccccc1NC(=O)NCCCN1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide?
The InChIKey is YPTBDZKJIYZWAV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-22(2)16-9-4-3-8-15(16)21-18(25)20-10-6-12-23-11-5-7-14(13-23)17(19)24/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H2,19,24)(H2,20,21,25)/t14-/m1/s1.
What are the key properties of (3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide?
(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 95350170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).