2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid

C14H21N5O3 — CID 69019671

IUPAC2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H21N5O3/c20-13(16-7-8-17-14(21)22)18-11-4-9-19(10-5-11)12-3-1-2-6-15-12/h1-3,6,11,17H,4-5,7-10H2,(H,21,22)(H2,16,18,20)
InChIKeyTWXSGQFWTCBBTP-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.62
Rot. Bonds5

About 2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid

2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid (PubChem CID 69019671) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
PubChem CID69019671
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H21N5O3/c20-13(16-7-8-17-14(21)22)18-11-4-9-19(10-5-11)12-3-1-2-6-15-12/h1-3,6,11,17H,4-5,7-10H2,(H,21,22)(H2,16,18,20)
InChIKeyTWXSGQFWTCBBTP-UHFFFAOYSA-N
XLogP0.62
TPSA106.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111337198
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 166181043
N-(4-fluorophenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]acetamide
CID 49255389
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
1-(3-methylsulfanylpropyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97240988
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396
N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide
CID 166205676
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 167813911
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid?
The IUPAC name of 2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid (CID 69019671) is 2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid.
What is the SMILES notation for 2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid?
The canonical SMILES for 2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid is O=C(O)NCCNC(=O)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid?
The InChIKey is TWXSGQFWTCBBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c20-13(16-7-8-17-14(21)22)18-11-4-9-19(10-5-11)12-3-1-2-6-15-12/h1-3,6,11,17H,4-5,7-10H2,(H,21,22)(H2,16,18,20).
What are the key properties of 2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid?
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid has a molecular weight of 307.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid is sourced from PubChem (CID 69019671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).